N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-pyridylmethyl)benzamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-mesyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H19N3O4S2/c1-29-17-8-11-20-19(13-17)24-22(30-20)25(14-16-5-3-4-12-23-16)21(26)15-6-9-18(10-7-15)31(2,27)28/h3-13H,14H2,1-2H3